CID 3040516

Spiro(1,3-benzodioxole-2,1'-cyclohexane)-2-methylamine, n-(2-(diethylamino)ethyl)-, dimaleate

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCN(CC)CCNCC1CCCCC12OC3=CC=CC=C3O2
InChI
InChI=1S/C19H30N2O2/c1-3-21(4-2)14-13-20-15-16-9-7-8-12-19(16)22-17-10-5-6-11-18(17)23-19/h5-6,10-11,16,20H,3-4,7-9,12-15H2,1-2H3
InChIKey
HMWPSQRKLTZRMJ-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 180.2
[M+Na]+ 341.21996 189.3
[M+NH4]+ 336.26456 190.1
[M+K]+ 357.19390 182.2
[M-H]- 317.22346 187.3
[M+Na-2H]- 339.20541 184.6
[M]+ 318.23019 183.5
[M]- 318.23129 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.